N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide

C21H27NO4 — CID 139011848

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C21H27NO4/c1-21(2,3)16-9-10-19(23)18(14-16)22-20(24)15-7-5-8-17(13-15)26-12-6-11-25-4/h5,7-10,13-14,23H,6,11-12H2,1-4H3,(H,22,24)
InChIKeyRLDHMAGBBYREQH-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.36
Rot. Bonds7

About N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide

N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide (PubChem CID 139011848) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
PubChem CID139011848
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C21H27NO4/c1-21(2,3)16-9-10-19(23)18(14-16)22-20(24)15-7-5-8-17(13-15)26-12-6-11-25-4/h5,7-10,13-14,23H,6,11-12H2,1-4H3,(H,22,24)
InChIKeyRLDHMAGBBYREQH-UHFFFAOYSA-N
XLogP4.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
CID 29262316
methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate
CID 100739583
N-(5-tert-butyl-2-hydroxyphenyl)-4-methoxybutanamide
CID 47266829
N-(5-tert-butyl-2-hydroxyphenyl)-4-ethoxybenzamide
CID 27672955
3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide
CID 71998645
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
N-[3-(3-methoxypropoxy)phenyl]benzamide
CID 86997539
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17232374
3-(2-methoxyethoxy)-N-(2-phenylphenyl)benzamide
CID 60564696
N-(5-tert-butyl-2-hydroxyphenyl)-3-cyclopropylbenzamide
CID 146081814
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide (CID 139011848) is N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide is COCCCOc1cccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)c1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide?
The InChIKey is RLDHMAGBBYREQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-21(2,3)16-9-10-19(23)18(14-16)22-20(24)15-7-5-8-17(13-15)26-12-6-11-25-4/h5,7-10,13-14,23H,6,11-12H2,1-4H3,(H,22,24).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide?
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide has a molecular weight of 357.45 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide is sourced from PubChem (CID 139011848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).